SCHEMBL2337558

SCHEMBL2337558

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)c(F)c2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.55
LPAR3 Q9UBY5 3/20 0.55
LPAR2 Q9HBW0 2/20 0.55
NR1H4 Q96RI1 3/20 0.40
DGAT1 O75907 2/20 0.40
SOAT1 P35610 2/20 0.40
SCN9A Q15858 4/20 0.39
SCN5A Q14524 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PPARD Q03181 2/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2335600 0.93 LPAR1 (0.57) LPAR1LPAR3LPAR2NR1H4DGAT1
SCHEMBL2338548 0.92 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2336526 0.91 LPAR1 (0.55) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2338268 0.89 LPAR1 (0.68) LPAR1LPAR3LPAR2NR1H4SCN9A
SCHEMBL3714467 0.89 LPAR1 (0.61) LPAR1LPAR3LPAR2NR1H4SCN9A
SCHEMBL2333914 0.88 LPAR1 (0.51) LPAR1LPAR3LPAR2NR1H4DGAT1
SCHEMBL3702336 0.88 LPAR1 (0.60) LPAR1LPAR3LPAR2NR1H4DGAT1
SCHEMBL2338132 0.88 LPAR1 (0.57) LPAR1LPAR3LPAR2NR1H4DGAT1
SCHEMBL3704162 0.88 LPAR1 (0.63) LPAR1LPAR3LPAR2NR1H4SCN9A
SCHEMBL3712289 0.88 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed